[Ifeffit] Plotting chi(R) from FEFF in XAS Viewer (Larch) with phase correction

Matt Newville newville at cars.uchicago.edu
Tue Dec 13 16:53:03 CST 2022


Hi Liam,

Yes,  this is not currently available.  It would not be hard to enable, but
I am not sure it is a great thing to do. I admit that I sort of find that
phase-correction plots need a lot of explanation, and so are prone to
causing confusion.  They might be useful for Pt metal, but they cannot
really be correct for multi-atomic systems.  Well, I guess "correct" is not
the only consideration ;).

I guess I would ask if there are suggestions and input from people teaching
XAFS on whether phase corrections (and probably a handful of other "tricks"
or analysis variations) are actually useful or just confusing.




On Tue, Dec 13, 2022 at 7:58 AM Liam Nagle-Cocco <lavn2 at cam.ac.uk> wrote:

> Dear all,
>
> In Artemis it is possible to plot chi(R) for FEFF-fit, with the phase
> corrected - i.e. bond length corrected for deltaR. This is shown in this
> screenshot below ("Use this path for phase corrected plotting"). Is this
> possible in XAS Viewer?
>
>
> Liam Nagle-Cocco *(he/his)*
>
> PhD Student in Condensed Matter Physics | Cavendish Laboratory
>
> Welfare Officer 2022-2023 | Jesus College MCR
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-- 
--Matt Newville <newville at cars.uchicago.edu> 630-327-7411
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